SCHEMBL5756255

SCHEMBL5756255

Cc1ccc(C(=O)N(CC(C)Cc2nc3cc(Cl)ccc3c(=O)n2Cc2ccccc2)CC(CCCNC(=O)OC(C)(C)C)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.51
MAP1LC3B Q9GZQ8 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNH2 Q12809 1/20 0.45
PDE6D O43924 3/20 0.40
SYK P43405 1/20 0.37
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NAMPT P43490 3/20 0.35
MC4R P32245 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5754463 0.86 SYK (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4515735 0.83 KIF11 (0.60) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5754455 0.80 MAPT (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5604903 0.78 KIF11 (0.67) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL6792792 0.78 KIF11 (0.51) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5604957 0.77 KIF11 (0.55) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL4524963 0.76 MAPT (0.43) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5603713 0.76 KIF11 (0.64) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5650911 0.76 KIF11 (0.75) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2
SCHEMBL5647209 0.76 KIF11 (0.75) KIF11MAP1LC3BCYP3A4CYP2C19KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553931-A4 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS INC (US) 2006-08-30 EP disclosed
EP-1553931-A1 COMPOUNDS, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2005-07-20 EP disclosed
WO-2003097053-A1 COMPOUNDS, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2003-11-27 WO disclosed